2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

C15H16N2O2S — CID 82441153

IUPAC2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCOc1ccccc1-c1nc(COC)c(CC#N)s1
InChIInChI=1S/C15H16N2O2S/c1-3-19-13-7-5-4-6-11(13)15-17-12(10-18-2)14(20-15)8-9-16/h4-7H,3,8,10H2,1-2H3
InChIKeyFKQWBJFTIKTKBM-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82441153) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82441153
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCOc1ccccc1-c1nc(COC)c(CC#N)s1
InChIInChI=1S/C15H16N2O2S/c1-3-19-13-7-5-4-6-11(13)15-17-12(10-18-2)14(20-15)8-9-16/h4-7H,3,8,10H2,1-2H3
InChIKeyFKQWBJFTIKTKBM-UHFFFAOYSA-N
XLogP3.42
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82432604
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
2-[4-tert-butyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82439155
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
2-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (CID 82441153) is 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is CCOc1ccccc1-c1nc(COC)c(CC#N)s1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is FKQWBJFTIKTKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-19-13-7-5-4-6-11(13)15-17-12(10-18-2)14(20-15)8-9-16/h4-7H,3,8,10H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).